SCHEMBL20138469

SCHEMBL20138469

CC(C)=CC(=O)C[C@H](C)[C@@H]1C=C[C@](C)(O)[C@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
STAT3 P40763 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21786526 1.00 PTPN1 (0.37) PTPN1STAT3
SCHEMBL20959747 1.00 PTPN1 (0.37) PTPN1STAT3
SCHEMBL29389613 1.00 PTPN1 (0.37) PTPN1STAT3
SCHEMBL899862 0.72 MET (0.38)
SCHEMBL30455949 0.70 PTPN1 (0.40) PTPN1STAT3
SCHEMBL21757939 0.70 PTPN1 (0.40) PTPN1STAT3
SCHEMBL13767028 0.69 STAT3 (0.38) PTPN1STAT3
SCHEMBL19117757 0.66 STAT3 (0.41) PTPN1STAT3
SCHEMBL3092052 0.66 STAT3 (0.41) PTPN1STAT3
SCHEMBL377474 0.65 PTPN1 (0.45) PTPN1STAT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed